1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide

C23H19N5O2S — CID 135221816

IUPAC1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(-c2ccccc2)n1
InChIInChI=1S/C23H19N5O2S/c1-28-12-17(21(27-28)14-5-3-2-4-6-14)22(30)26-23-25-19(13-31-23)16-7-9-18-15(11-16)8-10-20(29)24-18/h2-7,9,11-13H,8,10H2,1H3,(H,24,29)(H,25,26,30)
InChIKeySGNMHYQDKABQRK-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.35
Rot. Bonds4

About 1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide

1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide (PubChem CID 135221816) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide
PubChem CID135221816
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC Name1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(-c2ccccc2)n1
InChIInChI=1S/C23H19N5O2S/c1-28-12-17(21(27-28)14-5-3-2-4-6-14)22(30)26-23-25-19(13-31-23)16-7-9-18-15(11-16)8-10-20(29)24-18/h2-7,9,11-13H,8,10H2,1H3,(H,24,29)(H,25,26,30)
InChIKeySGNMHYQDKABQRK-UHFFFAOYSA-N
XLogP4.35
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 135221798
N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 122589321
(3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 41228511
6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343413
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343342
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33166774
2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-carboxamide
CID 108797869
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18292999
(2S)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41169360
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 139226266
6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 58910717
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46645877

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide (CID 135221816) is 1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(-c2ccccc2)n1.
What is the InChIKey of 1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is SGNMHYQDKABQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c1-28-12-17(21(27-28)14-5-3-2-4-6-14)22(30)26-23-25-19(13-31-23)16-7-9-18-15(11-16)8-10-20(29)24-18/h2-7,9,11-13H,8,10H2,1H3,(H,24,29)(H,25,26,30).
What are the key properties of 1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide?
1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 429.51 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 135221816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).